Compound Identification
SMILES
CCOC(=O)C1=CC=C(NC2=C(C(NC3=CC=C(OC(F)(F)F)C=C3)=NC=N2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=DKFCDSREZHHSHK-UHFFFAOYSA-N
Formula
C20H16F3N5O5
Mass
463.373
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Phenoxy compounds Phenol ethers Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Trihalomethanes Amino acids and derivatives Carboxylic acid esters Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides Organooxygen compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Phenoxy compound - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Phenol ether - Aminopyrimidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Amino acid or derivatives - Trihalomethane - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organofluoride - Amine - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organooxygen compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic zwitterion - Organic oxide - Halomethane - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available